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355815-54-2 molecular structure
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[2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine

ChemBase ID: 310885
Molecular Formular: C17H21NO
Molecular Mass: 255.35474
Monoisotopic Mass: 255.1623143
SMILES and InChIs

SMILES:
c1c(OC)cccc1CCNCc1cc(ccc1)C
Canonical SMILES:
COc1cccc(c1)CCNCc1cccc(c1)C
InChI:
InChI=1S/C17H21NO/c1-14-5-3-7-16(11-14)13-18-10-9-15-6-4-8-17(12-15)19-2/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKey:
SOUNTTFFXCUUPD-UHFFFAOYSA-N

Cite this record

CBID:310885 http://www.chembase.cn/molecule-310885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
IUPAC Traditional name
[2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
Synonyms
2-(3-methoxyphenyl)-N-(3-methylbenzyl)ethanamine
CAS Number
355815-54-2
MDL Number
MFCD01134883

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6899227  LogD (pH = 7.4) 1.500349 
Log P 3.900479  Molar Refractivity 80.178 cm3
Polarizability 31.234964 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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